1-(azepan-1-yl)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H34N5O6S+ MolecularWeight: 496.60026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O6S/c28-22(25-7-3-1-2-4-8-25)18-23-9-11-24(12-10-23)20-6-5-19(17-21(20)27(29)30)34(31,32)26-13-15-33-16-14-26/h5-6,17H,1-4,7-16,18H2/p+1